Geometry & MOs

Info

ID:	333113
PubChem CID:	127251661
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	-26.01
Dipole, Da:	6.18
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NN=CS4)C

DOS

IR

Vibrations